Dual roles of sub-nanometer NiO in alkaline hydrogen evolution reaction: breaking the Volmer limitation and optimizing d-orbital electronic configuration
Fei Guo, Zeyi Zhang, Runzhe Chen, Yangyang Tan, Wei Wu, Zichen Wang, Tang Zeng, Wangbin Zhu, Caoxin Lin, Niancai Cheng
Abstract
In this work, NiO nanoclusters were simulated by DFT for reducing the free energy of water dissociation and optimizing the Pt d-orbital electronic configuration, accelerating the alkaline HER kinetics.
Topics & Concepts
NanoclustersOverpotentialNon-blocking I/OTafel equationMaterials scienceHydrogenChemical engineeringCatalysisNanotechnologyPhysical chemistryChemistryElectrochemistryElectrodeOrganic chemistryEngineeringElectrocatalysts for Energy ConversionAdvanced battery technologies researchAdvancements in Battery Materials